Non-Adiabatic Molecular Dynamics Methods for Materials Discovery [electronic resource]
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2017
	Bộ sưu tập: Metadata
	ddc:  333.79  Thêm vào giỏ

The Role of Protons and Hydrides in the Catalytic Hydrogenolysis of Guaiacol at the Ruthenium Nanoparticle?Water Interfa...
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2020
	Bộ sưu tập: Metadata
	ddc:  668.9  Thêm vào giỏ

Coverage-Dependent Adsorption of Hydrogen on Fe(100) [electronic resource] : Determining Catalytically Relevant Surface ...
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2020
	Bộ sưu tập: Metadata
	ddc:  666.9  Thêm vào giỏ

Coverage-Dependent Adsorption of Phenol on Pt(111) from First Principles [electronic resource]
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2019
	Bộ sưu tập: Metadata
	ddc:  666.9  Thêm vào giỏ

Simulation dataset for "Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Et...
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2021
	Bộ sưu tập: Metadata
	ddc:  620.1  Thêm vào giỏ

Determining the hydration energetics on carbon-supported Ru catalysts [electronic resource] : An adsorption calorimetry ...
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2020
	Bộ sưu tập: Metadata
	ddc:  504.2  Thêm vào giỏ

Benchmarking the accuracy of coverage-dependent models [electronic resource] : adsorption and desorption of benzene on P...
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2019
	Bộ sưu tập: Metadata
	ddc:  541.3  Thêm vào giỏ

Elucidating the Roles of Electric Fields in Catalysis [electronic resource] : A Perspective
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2018
	Bộ sưu tập: Metadata
	ddc:  660.6  Thêm vào giỏ

Perspective on Catalytic Hydrodeoxygenation of Biomass Pyrolysis Oils [electronic resource] : Essential Roles of Fe-Base...
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2016
	Bộ sưu tập: Metadata
	ddc:  666.9  Thêm vào giỏ

Synergistic Catalysis between Pd and Fe in Gas Phase Hydrodeoxygenation of m-Cresol [electronic resource]
	Tác giả:
	Xuất bản: Washington DC Oak Ridge Tenn: United States Dept of Energy Office of Science Distributed by the Office of Scientific and Technical Information US Dept of Energy, 2014
	Bộ sưu tập: Metadata
	ddc:  541.3  Thêm vào giỏ